In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2008 | 19 | Yes |
Popular Name: (E)-7-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]oct-6-enoic (E)-7-[(1S,3R)-2,2-dimethyl-3-(2…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 5.76 | 11.26 | -45.38 | 0 | 2 | -1 | 40 | 263.401 | 7 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.88 | 11.04 | -43.46 | 0 | 2 | -1 | 40 | 237.363 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.88 | 9.05 | -5.04 | 1 | 2 | 0 | 37 | 238.371 | 8 | ↓ |
Popular Name: (3S,6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoic (3S,6E,10E)-3,7,11,15-tetramethy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 6.72 | 14.57 | -43.55 | 0 | 2 | -1 | 40 | 305.482 | 11 | ↓ |
Lo Low (pH 4.5-6) | 6.72 | 12.57 | -5.14 | 1 | 2 | 0 | 37 | 306.49 | 11 | ↓ |
Popular Name: (3R,6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoic (3R,6E,10E)-3,7,11,15-tetramethy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 6.72 | 14.57 | -43.52 | 0 | 2 | -1 | 40 | 305.482 | 11 | ↓ |
Lo Low (pH 4.5-6) | 6.72 | 12.58 | -5.07 | 1 | 2 | 0 | 37 | 306.49 | 11 | ↓ |